Geometry & MOs

Info

ID:	172544
PubChem CID:	75523657
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	326.06299
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	1.3
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3-methylphenyl)-3-(4-methyloxan-4-yl)urea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N1CCOCC1CC(=O)C2=CC=CS2

DOS

IR

Vibrations